1-(2-fluorophenyl)-4-[(1R)-1-(1-phenethyl-1,2,3,4-tetrazol-5-yl)butyl]piperazin-4-ium

Systemtic Name: 1-(2-fluorophenyl)-4-[(1R)-1-(1-phenethyl-1,2,3,4-tetrazol-5-yl)butyl]piperazin-4-ium Openeye Name: 1-(2-fluorophenyl)-4-[(1R)-1-(1-phenethyltetrazol-5-yl)butyl]piperazin-4-ium CAS Name: 1-(2-fluorophenyl)-4-[(1R)-1-(1-phenethyl-5-tetrazolyl)butyl]piperazin-4-ium IUPAC Name: 1-(2-fluorophenyl)-4-[(1R)-1-(1-phenethyltetrazol-5-yl)butyl]piperazin-4-ium Traditional Name: 1-(2-fluorophenyl)-4-[(1R)-1-(1-phenethyltetrazol-5-yl)butyl]piperazin-4-ium Formula: C23H30FN6+ MolecularWeight: 409.522903

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=NN1CCC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCC[C@H](C1=NN=NN1CCC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C23H29FN6/c1-2-8-22(23-25-26-27-30(23)14-13-19-9-4-3-5-10-19)29-17-15-28(16-18-29)21-12-7-6-11-20(21)24/h3-7,9-12,22H,2,8,13-18H2,1H3/p+1/t22-/m1/s1